Estra-1(10),2,4-Trien-3-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C18H24O
IUPAC Name (8s,9s,13s,14s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 256.383 g·mol−1
Heat of Formation -244.0 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 331.09 Å 3
Surface Area 281.18 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,13s,14s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
  • 17-deoxyestradiol
  • 17-deoxyestrone
  • 17-desoxyestradiol
  • 3-hydroxyestra-1,3,5(10)-triene
  • deoxoestrone
  • estra-1,3,5(10)-trien-3-ol
  • estrone, 17-deoxy-
CAS Number(s)
  • 53-63-4
InChIKey HJKVPZJVBHWFCQ-BDXSIMOUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O